SCHEMBL19984145

SCHEMBL19984145

CCOc1ccc(Nc2ccc3c(CNC)c[nH]c3c2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
GPR84 Q9NQS5 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
PTK6 Q13882 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CFTR P13569 1/20 0.32
MPO P05164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19983742 0.87 GPR84 (0.35) S1PR1GPR84IDO1TDO2MAPT
SCHEMBL19983858 0.85 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19983751 0.84 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL19983738 0.79 GPR84 (0.39) GPR84MAPTCHRNB2CHRNA7CHRNA4
SCHEMBL19984003 0.78 GPR84 (0.50) GPR84CHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19984124 0.78 GPR84 (0.42) GPR84CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL19983754 0.77 HTR2A (0.45) GPR84CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL19984153 0.77 GPR84 (0.40) GPR84IDO1TDO2CHRNB2CHRNA7
SCHEMBL19983891 0.77 GPR84 (0.49) GPR84CHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19983830 0.77 HTR2A (0.48) GPR84MAPTMEN1KMT2AHTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed